SCHEMBL10095665

SCHEMBL10095665

CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.45
GRIK1 P39086 1/20 0.44
CYP11B2 P19099 2/20 0.42
PLAU P00749 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PKM P14618 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10095663 0.93 GRIK2 (0.45) GRIK2GRIK1PLAUALDH1A1HPGD
SCHEMBL14204861 0.88 GRIK2 (0.49) GRIK2GRIK1PLAUALDH1A1HPGD
SCHEMBL10095680 0.87 GRIK2 (0.49) GRIK2GRIK1CYP11B2ALDH1A1HPGD
SCHEMBL13152044 0.86 GRIK2 (0.45) GRIK2GRIK1CYP11B2PLAUALDH1A1
SCHEMBL10095333 0.85 GRIK2 (0.46) GRIK2GRIK1CYP11B2PLAUALDH1A1
SCHEMBL10095639 0.85 GRIK2 (0.45) GRIK2GRIK1PLAUALDH1A1HPGD
SCHEMBL10095937 0.85 GRIK2 (0.51) GRIK2GRIK1CYP11B2ALDH1A1HPGD
SCHEMBL10095638 0.85 GRIK2 (0.47) GRIK2GRIK1GRIA2GRIA4FAAH
SCHEMBL12306840 0.84 GRIK2 (0.43) GRIK2GRIK1PLAUALDH1A1HPGD
SCHEMBL10096285 0.84 GRIK2 (0.44) GRIK2GRIK1CYP11B2PLAUALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 GRIK2 4509/4885GRIK1 4477/4885CYP11B2 1649/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885CYP11B2 1209/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885CYP11B2 3187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.